2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile

C10H16N4 — CID 64975300

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCc1n[nH]c(C)c1C(C#N)NC(C)C
InChIInChI=1S/C10H16N4/c1-6(2)12-9(5-11)10-7(3)13-14-8(10)4/h6,9,12H,1-4H3,(H,13,14)
InChIKeyJCVKUKCKVVAMJY-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.59
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 64975300) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile
PubChem CID64975300
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCc1n[nH]c(C)c1C(C#N)NC(C)C
InChIInChI=1S/C10H16N4/c1-6(2)12-9(5-11)10-7(3)13-14-8(10)4/h6,9,12H,1-4H3,(H,13,14)
InChIKeyJCVKUKCKVVAMJY-UHFFFAOYSA-N
XLogP1.59
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile (CID 64975300) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile is Cc1n[nH]c(C)c1C(C#N)NC(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is JCVKUKCKVVAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-6(2)12-9(5-11)10-7(3)13-14-8(10)4/h6,9,12H,1-4H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 64975300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).