4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide

C14H25N5O — CID 79394730

IUPAC4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide
SMILESCc1nn(C(C)C)c(NCCCC(=O)NC2CC2)c1N
InChIInChI=1S/C14H25N5O/c1-9(2)19-14(13(15)10(3)18-19)16-8-4-5-12(20)17-11-6-7-11/h9,11,16H,4-8,15H2,1-3H3,(H,17,20)
InChIKeyTYUXWNIUGZKMHT-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.83
Rot. Bonds7

About 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide

4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide (PubChem CID 79394730) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide
PubChem CID79394730
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide
SMILESCc1nn(C(C)C)c(NCCCC(=O)NC2CC2)c1N
InChIInChI=1S/C14H25N5O/c1-9(2)19-14(13(15)10(3)18-19)16-8-4-5-12(20)17-11-6-7-11/h9,11,16H,4-8,15H2,1-3H3,(H,17,20)
InChIKeyTYUXWNIUGZKMHT-UHFFFAOYSA-N
XLogP1.83
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
CID 66025704
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66028328
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-N-cyclopropylacetamide
CID 66029167
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
N-cyclopropyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960546

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide (CID 79394730) is 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide is Cc1nn(C(C)C)c(NCCCC(=O)NC2CC2)c1N.
What is the InChIKey of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is TYUXWNIUGZKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)19-14(13(15)10(3)18-19)16-8-4-5-12(20)17-11-6-7-11/h9,11,16H,4-8,15H2,1-3H3,(H,17,20).
What are the key properties of 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide?
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 279.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79394730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).