N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride

C9H15ClN4O — CID 130748029

IUPACN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(C[C@@H]1CCNC1)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O.ClH/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8;/h5-7,10H,1-4H2,(H,11,12)(H,13,14);1H/t7-;/m0./s1
InChIKeyMKGUSUGNODPBCW-FJXQXJEOSA-N
MW230.70 g/mol
LogP0.77
Rot. Bonds3

About N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride

N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 130748029) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID130748029
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC NameN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(C[C@@H]1CCNC1)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O.ClH/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8;/h5-7,10H,1-4H2,(H,11,12)(H,13,14);1H/t7-;/m0./s1
InChIKeyMKGUSUGNODPBCW-FJXQXJEOSA-N
XLogP0.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130748030
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 126786580
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride (CID 130748029) is N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride is Cl.O=C(C[C@@H]1CCNC1)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is MKGUSUGNODPBCW-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H14N4O.ClH/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8;/h5-7,10H,1-4H2,(H,11,12)(H,13,14);1H/t7-;/m0./s1.
What are the key properties of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 130748029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).