3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide

C11H20ClN5O — CID 122565349

IUPAC3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C(CNC(=O)c1[nH]nc(N)c1Cl)N(C)C
InChIInChI=1S/C11H20ClN5O/c1-6(2)7(17(3)4)5-14-11(18)9-8(12)10(13)16-15-9/h6-7H,5H2,1-4H3,(H,14,18)(H3,13,15,16)
InChIKeyRMFXZADNFYJXGL-UHFFFAOYSA-N
MW273.77 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide (PubChem CID 122565349) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide
PubChem CID122565349
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C(CNC(=O)c1[nH]nc(N)c1Cl)N(C)C
InChIInChI=1S/C11H20ClN5O/c1-6(2)7(17(3)4)5-14-11(18)9-8(12)10(13)16-15-9/h6-7H,5H2,1-4H3,(H,14,18)(H3,13,15,16)
InChIKeyRMFXZADNFYJXGL-UHFFFAOYSA-N
XLogP0.96
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide (CID 122565349) is 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide is CC(C)C(CNC(=O)c1[nH]nc(N)c1Cl)N(C)C.
What is the InChIKey of 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RMFXZADNFYJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O/c1-6(2)7(17(3)4)5-14-11(18)9-8(12)10(13)16-15-9/h6-7H,5H2,1-4H3,(H,14,18)(H3,13,15,16).
What are the key properties of 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide has a molecular weight of 273.77 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122565349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).