N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine

C12H19N5 — CID 82871677

IUPACN-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2ccn(C)n2)c1
InChIInChI=1S/C12H19N5/c1-4-12(13-2)10-7-14-17(8-10)9-11-5-6-16(3)15-11/h5-8,12-13H,4,9H2,1-3H3
InChIKeyCGPWOQXNTBGEDO-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine

N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 82871677) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID82871677
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2ccn(C)n2)c1
InChIInChI=1S/C12H19N5/c1-4-12(13-2)10-7-14-17(8-10)9-11-5-6-16(3)15-11/h5-8,12-13H,4,9H2,1-3H3
InChIKeyCGPWOQXNTBGEDO-UHFFFAOYSA-N
XLogP1.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
CID 64777533
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64778903
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine (CID 82871677) is N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine is CCC(NC)c1cnn(Cc2ccn(C)n2)c1.
What is the InChIKey of N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is CGPWOQXNTBGEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-12(13-2)10-7-14-17(8-10)9-11-5-6-16(3)15-11/h5-8,12-13H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine?
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 82871677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).