N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide

C15H25N3O2 — CID 164632785

IUPACN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC[C@]2(O)CCCC2(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-4-8-18-10-12(9-17-18)13(19)16-11-15(20)7-5-6-14(15,2)3/h9-10,20H,4-8,11H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyNNACQPCQIGKFFQ-OAHLLOKOSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds5

About N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide

N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 164632785) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID164632785
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC[C@]2(O)CCCC2(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-4-8-18-10-12(9-17-18)13(19)16-11-15(20)7-5-6-14(15,2)3/h9-10,20H,4-8,11H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyNNACQPCQIGKFFQ-OAHLLOKOSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide (CID 164632785) is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NC[C@]2(O)CCCC2(C)C)cn1.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is NNACQPCQIGKFFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-8-18-10-12(9-17-18)13(19)16-11-15(20)7-5-6-14(15,2)3/h9-10,20H,4-8,11H2,1-3H3,(H,16,19)/t15-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide?
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 164632785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).