1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide

C16H25N5O2 — CID 121494629

IUPAC1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC(=O)NCc2n[nH]c3c2CCCCC3)CCCC1
InChIInChI=1S/C16H25N5O2/c17-14(22)16(8-4-5-9-16)19-15(23)18-10-13-11-6-2-1-3-7-12(11)20-21-13/h1-10H2,(H2,17,22)(H,20,21)(H2,18,19,23)
InChIKeyRWGNALLXFCXIFX-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.28
Rot. Bonds4

About 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide

1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide (PubChem CID 121494629) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
PubChem CID121494629
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC(=O)NCc2n[nH]c3c2CCCCC3)CCCC1
InChIInChI=1S/C16H25N5O2/c17-14(22)16(8-4-5-9-16)19-15(23)18-10-13-11-6-2-1-3-7-12(11)20-21-13/h1-10H2,(H2,17,22)(H,20,21)(H2,18,19,23)
InChIKeyRWGNALLXFCXIFX-UHFFFAOYSA-N
XLogP1.28
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020
(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 102354753
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 97131114
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154909937
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
4-amino-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrimidine-5-carboxamide
CID 138036032
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
CID 72911448
N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167959067

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide?
The IUPAC name of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide (CID 121494629) is 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide is NC(=O)C1(NC(=O)NCc2n[nH]c3c2CCCCC3)CCCC1.
What is the InChIKey of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide?
The InChIKey is RWGNALLXFCXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-14(22)16(8-4-5-9-16)19-15(23)18-10-13-11-6-2-1-3-7-12(11)20-21-13/h1-10H2,(H2,17,22)(H,20,21)(H2,18,19,23).
What are the key properties of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide?
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 121494629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).