1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

C16H26FN5 — CID 154741570

IUPAC1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESFC1(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)CC1
InChIInChI=1S/C16H26FN5/c17-16(3-4-16)12-21-7-1-2-13(11-21)14-10-15(20-19-14)22-8-5-18-6-9-22/h10,13,18H,1-9,11-12H2,(H,19,20)
InChIKeyFXGUZDIWUKJPKC-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.50
Rot. Bonds4

About 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (PubChem CID 154741570) has the molecular formula C16H26FN5 and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
PubChem CID154741570
Molecular FormulaC16H26FN5
Molecular Weight307.42 g/mol
Exact Mass307.22
IUPAC Name1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESFC1(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)CC1
InChIInChI=1S/C16H26FN5/c17-16(3-4-16)12-21-7-1-2-13(11-21)14-10-15(20-19-14)22-8-5-18-6-9-22/h10,13,18H,1-9,11-12H2,(H,19,20)
InChIKeyFXGUZDIWUKJPKC-UHFFFAOYSA-N
XLogP1.50
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 171351810
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
tert-butyl 4-[3-(piperidin-3-yl)-1H-pyrazol-5-yl]piperazine-1-carboxylate
CID 126817959
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
1-[5-[(3S)-1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
CID 164640209
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 143752130
(NZ)-N-[[[5-(4-fluorocyclohexa-2,4-dien-1-yl)-1H-pyrazol-3-yl]amino]-(methylideneamino)methylidene]-4-methyl-N'-[[(4-methylcyclohexa-1,5-dien-1-yl)amino]methyl]piperazine-1-carboximidamide
CID 144106343
5-cyclopropyl-N-[2-(5-cyclopropyl-6,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-pyrazol-3-amine
CID 175240809
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 177317914

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (CID 154741570) is 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is FC1(CN2CCCC(c3cc(N4CCNCC4)n[nH]3)C2)CC1.
What is the InChIKey of 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The InChIKey is FXGUZDIWUKJPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5/c17-16(3-4-16)12-21-7-1-2-13(11-21)14-10-15(20-19-14)22-8-5-18-6-9-22/h10,13,18H,1-9,11-12H2,(H,19,20).
What are the key properties of 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine has a molecular weight of 307.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 154741570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).