1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide

C13H24N4O2 — CID 107860485

IUPAC1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H](CO)C(C)C)cnn1CCCN
InChIInChI=1S/C13H24N4O2/c1-9(2)12(8-18)16-13(19)11-7-15-17(10(11)3)6-4-5-14/h7,9,12,18H,4-6,8,14H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyHRYTXWVWRRDGOH-GFCCVEGCSA-N
MW268.36 g/mol
LogP0.29
Rot. Bonds7

About 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide

1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 107860485) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
PubChem CID107860485
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H](CO)C(C)C)cnn1CCCN
InChIInChI=1S/C13H24N4O2/c1-9(2)12(8-18)16-13(19)11-7-15-17(10(11)3)6-4-5-14/h7,9,12,18H,4-6,8,14H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyHRYTXWVWRRDGOH-GFCCVEGCSA-N
XLogP0.29
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 104758377
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CID 106033658
4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
CID 79248487
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
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1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
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N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957671
1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 78977040
1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
CID 63695465
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 65283209

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide (CID 107860485) is 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@H](CO)C(C)C)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is HRYTXWVWRRDGOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)12(8-18)16-13(19)11-7-15-17(10(11)3)6-4-5-14/h7,9,12,18H,4-6,8,14H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide?
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107860485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).