N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

C14H22ClN5O2 — CID 119728672

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCNC1.Cl
InChIInChI=1S/C14H21N5O2.ClH/c1-14(4-5-15-9-14)13(21)18-11-6-16-19(7-11)8-12(20)17-10-2-3-10;/h6-7,10,15H,2-5,8-9H2,1H3,(H,17,20)(H,18,21);1H
InChIKeyZPNDVPOYXPUBOS-UHFFFAOYSA-N
MW327.82 g/mol
LogP0.52
Rot. Bonds5

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119728672) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119728672
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCNC1.Cl
InChIInChI=1S/C14H21N5O2.ClH/c1-14(4-5-15-9-14)13(21)18-11-6-16-19(7-11)8-12(20)17-10-2-3-10;/h6-7,10,15H,2-5,8-9H2,1H3,(H,17,20)(H,18,21);1H
InChIKeyZPNDVPOYXPUBOS-UHFFFAOYSA-N
XLogP0.52
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119728672) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCNC1.Cl.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZPNDVPOYXPUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.ClH/c1-14(4-5-15-9-14)13(21)18-11-6-16-19(7-11)8-12(20)17-10-2-3-10;/h6-7,10,15H,2-5,8-9H2,1H3,(H,17,20)(H,18,21);1H.
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 327.82 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119728672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).