1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine

C15H29N5 — CID 66019007

IUPAC1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC(C)N2CCCCC2)c1N
InChIInChI=1S/C15H29N5/c1-11(2)14-13(16)15(19(4)18-14)17-10-12(3)20-8-6-5-7-9-20/h11-12,17H,5-10,16H2,1-4H3
InChIKeyCHSRMLGNALQKAJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.41
Rot. Bonds5

About 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66019007) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66019007
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC(C)N2CCCCC2)c1N
InChIInChI=1S/C15H29N5/c1-11(2)14-13(16)15(19(4)18-14)17-10-12(3)20-8-6-5-7-9-20/h11-12,17H,5-10,16H2,1-4H3
InChIKeyCHSRMLGNALQKAJ-UHFFFAOYSA-N
XLogP2.41
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
CID 66012143
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114118785
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017249
2-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66011569
1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018408
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine (CID 66019007) is 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCC(C)N2CCCCC2)c1N.
What is the InChIKey of 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is CHSRMLGNALQKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-11(2)14-13(16)15(19(4)18-14)17-10-12(3)20-8-6-5-7-9-20/h11-12,17H,5-10,16H2,1-4H3.
What are the key properties of 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).