N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

C15H27N5O — CID 124755441

IUPACN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c([C@@H](C)NC(=O)CCN2CCN(C)CC2)cnn1C
InChIInChI=1S/C15H27N5O/c1-12(14-11-16-19(4)13(14)2)17-15(21)5-6-20-9-7-18(3)8-10-20/h11-12H,5-10H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyQHVHILQAGZCGOJ-GFCCVEGCSA-N
MW293.41 g/mol
LogP0.54
Rot. Bonds5

About N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 124755441) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID124755441
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c([C@@H](C)NC(=O)CCN2CCN(C)CC2)cnn1C
InChIInChI=1S/C15H27N5O/c1-12(14-11-16-19(4)13(14)2)17-15(21)5-6-20-9-7-18(3)8-10-20/h11-12H,5-10H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyQHVHILQAGZCGOJ-GFCCVEGCSA-N
XLogP0.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
CID 91788298
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125176041
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51114201
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 45235386
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 146083360
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 116675047

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 124755441) is N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1c([C@@H](C)NC(=O)CCN2CCN(C)CC2)cnn1C.
What is the InChIKey of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is QHVHILQAGZCGOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(14-11-16-19(4)13(14)2)17-15(21)5-6-20-9-7-18(3)8-10-20/h11-12H,5-10H2,1-4H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 124755441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).