1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine

C7H12ClN3 — CID 84766576

IUPAC1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cn[nH]c1Cl
InChIInChI=1S/C7H12ClN3/c1-7(2,9)3-5-4-10-11-6(5)8/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyNHAMPUNAOIWNRZ-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.34
Rot. Bonds2

About 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine

1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine (PubChem CID 84766576) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine
PubChem CID84766576
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cn[nH]c1Cl
InChIInChI=1S/C7H12ClN3/c1-7(2,9)3-5-4-10-11-6(5)8/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyNHAMPUNAOIWNRZ-UHFFFAOYSA-N
XLogP1.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 84792529
4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
CID 84650975
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine
CID 84795219
5-chloro-1H-pyrazol-4-amine;1-(5-chloro-1H-pyrazol-4-yl)but-3-en-2-one;hydrochloride
CID 158010113
2-methyl-1-(1-oxidopyrazin-1-ium-2-yl)propan-2-amine
CID 174279435
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
CID 155973658
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
CID 79503158
1-[4-(2-chloro-2,2-difluoroethyl)-1H-pyrazol-5-yl]ethanone
CID 123610176
2-methyl-1-pyrazin-2-ylpropan-2-amine
CID 82594901
5-bromo-4-ethyl-1H-pyrazole
CID 84655098

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine (CID 84766576) is 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cn[nH]c1Cl.
What is the InChIKey of 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine?
The InChIKey is NHAMPUNAOIWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-7(2,9)3-5-4-10-11-6(5)8/h4H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine?
1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine has a molecular weight of 173.65 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 84766576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).