1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid

C14H19N5O3 — CID 19483106

IUPAC1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCc1cnn(CCCNC(=O)CCn2cc(C(=O)O)cn2)c1
InChIInChI=1S/C14H19N5O3/c1-11-7-16-18(9-11)5-2-4-15-13(20)3-6-19-10-12(8-17-19)14(21)22/h7-10H,2-6H2,1H3,(H,15,20)(H,21,22)
InChIKeyRAYMSQRRPUWJRM-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.68
Rot. Bonds8

About 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid

1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid (PubChem CID 19483106) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
PubChem CID19483106
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCc1cnn(CCCNC(=O)CCn2cc(C(=O)O)cn2)c1
InChIInChI=1S/C14H19N5O3/c1-11-7-16-18(9-11)5-2-4-15-13(20)3-6-19-10-12(8-17-19)14(21)22/h7-10H,2-6H2,1H3,(H,15,20)(H,21,22)
InChIKeyRAYMSQRRPUWJRM-UHFFFAOYSA-N
XLogP0.68
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
1-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483150
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
CID 91762642
1-[3-(3,4-dimethylanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482916
3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 90652937
1-[3-(benzylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622542
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid (CID 19483106) is 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid is Cc1cnn(CCCNC(=O)CCn2cc(C(=O)O)cn2)c1.
What is the InChIKey of 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The InChIKey is RAYMSQRRPUWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-11-7-16-18(9-11)5-2-4-15-13(20)3-6-19-10-12(8-17-19)14(21)22/h7-10H,2-6H2,1H3,(H,15,20)(H,21,22).
What are the key properties of 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid?
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19483106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).