N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide

C19H27FN4O2 — CID 70730025

IUPACN-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2c1CCC2)C1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-13-9-14(10-21-18(25)12-5-2-1-3-6-12)24(11-13)19(26)17-15-7-4-8-16(15)22-23-17/h12-14H,1-11H2,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeySNWSNZDGEKIGOI-KBPBESRZSA-N
MW362.45 g/mol
LogP2.15
Rot. Bonds4

About N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide

N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 70730025) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
PubChem CID70730025
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2c1CCC2)C1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-13-9-14(10-21-18(25)12-5-2-1-3-6-12)24(11-13)19(26)17-15-7-4-8-16(15)22-23-17/h12-14H,1-11H2,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeySNWSNZDGEKIGOI-KBPBESRZSA-N
XLogP2.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
US10022354, Example 215
CID 121279627
US10022354, Example 207
CID 121279649
US10022354, Example 153
CID 121279741
US10022354, Example 145
CID 132070196
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71847289
5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461968
[5-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118742237
3-Cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 46075103
1-[3-(Pyrrolidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]hexan-1-one
CID 46075105
4-(Cyclopropylmethyl)-3-isopropyl-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-1,4-diazepan-5-one
CID 56871303

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide (CID 70730025) is N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide is O=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2c1CCC2)C1CCCCC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is SNWSNZDGEKIGOI-KBPBESRZSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-13-9-14(10-21-18(25)12-5-2-1-3-6-12)24(11-13)19(26)17-15-7-4-8-16(15)22-23-17/h12-14H,1-11H2,(H,21,25)(H,22,23)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 70730025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).