N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine

C9H17N3 — CID 156578680

IUPACN,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
SMILESCC(C)Cc1cn[nH]c1N(C)C
InChIInChI=1S/C9H17N3/c1-7(2)5-8-6-10-11-9(8)12(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyZCAHWBGKGNFLJC-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.67
Rot. Bonds3

About N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine

N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine (PubChem CID 156578680) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
PubChem CID156578680
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
SMILESCC(C)Cc1cn[nH]c1N(C)C
InChIInChI=1S/C9H17N3/c1-7(2)5-8-6-10-11-9(8)12(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyZCAHWBGKGNFLJC-UHFFFAOYSA-N
XLogP1.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine?
The IUPAC name of N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine (CID 156578680) is N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine?
The canonical SMILES for N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine is CC(C)Cc1cn[nH]c1N(C)C.
What is the InChIKey of N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine?
The InChIKey is ZCAHWBGKGNFLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)5-8-6-10-11-9(8)12(3)4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine?
N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 156578680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).