N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C12H18N4O — CID 133111834

IUPACN-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C12H18N4O/c13-7-4-5-8(6-7)14-12(17)11-9-2-1-3-10(9)15-16-11/h7-8H,1-6,13H2,(H,14,17)(H,15,16)/t7-,8-/m0/s1
InChIKeyIRLHJPCKNQWBFT-YUMQZZPRSA-N
MW234.30 g/mol
LogP0.51
Rot. Bonds2

About N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 133111834) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID133111834
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESN[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C12H18N4O/c13-7-4-5-8(6-7)14-12(17)11-9-2-1-3-10(9)15-16-11/h7-8H,1-6,13H2,(H,14,17)(H,15,16)/t7-,8-/m0/s1
InChIKeyIRLHJPCKNQWBFT-YUMQZZPRSA-N
XLogP0.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 133111834) is N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is N[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IRLHJPCKNQWBFT-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H18N4O/c13-7-4-5-8(6-7)14-12(17)11-9-2-1-3-10(9)15-16-11/h7-8H,1-6,13H2,(H,14,17)(H,15,16)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 133111834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).