1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide

C14H22N6O — CID 106033658

IUPAC1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cnn(CCCN)c2C)cnn1C
InChIInChI=1S/C14H22N6O/c1-10-12(8-17-19(10)3)7-16-14(21)13-9-18-20(11(13)2)6-4-5-15/h8-9H,4-7,15H2,1-3H3,(H,16,21)
InChIKeyMKYUWQDGUDJAHB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.51
Rot. Bonds6

About 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide

1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 106033658) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID106033658
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(CNC(=O)c2cnn(CCCN)c2C)cnn1C
InChIInChI=1S/C14H22N6O/c1-10-12(8-17-19(10)3)7-16-14(21)13-9-18-20(11(13)2)6-4-5-15/h8-9H,4-7,15H2,1-3H3,(H,16,21)
InChIKeyMKYUWQDGUDJAHB-UHFFFAOYSA-N
XLogP0.51
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
CID 106894634
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide (CID 106033658) is 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide is Cc1c(CNC(=O)c2cnn(CCCN)c2C)cnn1C.
What is the InChIKey of 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is MKYUWQDGUDJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-12(8-17-19(10)3)7-16-14(21)13-9-18-20(11(13)2)6-4-5-15/h8-9H,4-7,15H2,1-3H3,(H,16,21).
What are the key properties of 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide?
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 106033658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).