5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C10H17N5O — CID 64540644

IUPAC5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC(N)C(C)O)c1C#N
InChIInChI=1S/C10H17N5O/c1-6-8(4-11)10(15(3)14-6)13-5-9(12)7(2)16/h7,9,13,16H,5,12H2,1-3H3
InChIKeyNYCJQQKSXOXZCT-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.28
Rot. Bonds4

About 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 64540644) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID64540644
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC(N)C(C)O)c1C#N
InChIInChI=1S/C10H17N5O/c1-6-8(4-11)10(15(3)14-6)13-5-9(12)7(2)16/h7,9,13,16H,5,12H2,1-3H3
InChIKeyNYCJQQKSXOXZCT-UHFFFAOYSA-N
XLogP-0.28
TPSA99.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 65036129
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
CID 106170857
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
2-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475011
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405568
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-[(3-hydroxy-4-methoxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106245870
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 64540644) is 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCC(N)C(C)O)c1C#N.
What is the InChIKey of 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is NYCJQQKSXOXZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-8(4-11)10(15(3)14-6)13-5-9(12)7(2)16/h7,9,13,16H,5,12H2,1-3H3.
What are the key properties of 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-hydroxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 64540644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).