N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine

C11H19N3 — CID 115921786

IUPACN-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
SMILESCCC(C)Nc1ccnn1CC1CC1
InChIInChI=1S/C11H19N3/c1-3-9(2)13-11-6-7-12-14(11)8-10-4-5-10/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeySMXNLQWNRUPHGD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds5

About N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine

N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine (PubChem CID 115921786) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
PubChem CID115921786
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
SMILESCCC(C)Nc1ccnn1CC1CC1
InChIInChI=1S/C11H19N3/c1-3-9(2)13-11-6-7-12-14(11)8-10-4-5-10/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeySMXNLQWNRUPHGD-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
CID 115921784
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
CID 115926056
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
N-(1-ethoxypropan-2-yl)-2-propylpyrazol-3-amine
CID 115926039
N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
CID 115926037
N-(3-methylpentan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
CID 115927824
2-(cyclopropylmethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 115702990
2-(cyclopropylmethyl)pyrazole-3-carbonitrile
CID 84649157
4-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 178099289
(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125166583

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine?
The IUPAC name of N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine (CID 115921786) is N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine?
The canonical SMILES for N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine is CCC(C)Nc1ccnn1CC1CC1.
What is the InChIKey of N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine?
The InChIKey is SMXNLQWNRUPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-9(2)13-11-6-7-12-14(11)8-10-4-5-10/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine?
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115921786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).