N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C16H20N4O — CID 97053477

IUPACN-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccn[nH]1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H20N4O/c1-12(18-16(21)15-7-8-17-19-15)13-5-4-6-14(11-13)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1
InChIKeyQEPCHZDRUMYETP-GFCCVEGCSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds4

About N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide

N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 97053477) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID97053477
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccn[nH]1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H20N4O/c1-12(18-16(21)15-7-8-17-19-15)13-5-4-6-14(11-13)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1
InChIKeyQEPCHZDRUMYETP-GFCCVEGCSA-N
XLogP2.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 97053477) is N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide is C[C@@H](NC(=O)c1ccn[nH]1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QEPCHZDRUMYETP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(18-16(21)15-7-8-17-19-15)13-5-4-6-14(11-13)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97053477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).