N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine

C15H25N5 — CID 122167320

IUPACN-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCc2cnn(C(C)C)c2C)cn1
InChIInChI=1S/C15H25N5/c1-5-6-19-11-14(8-17-19)7-16-9-15-10-18-20(12(2)3)13(15)4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyPRJYBKATXAZOTH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.67
Rot. Bonds7

About N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine

N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 122167320) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID122167320
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCc2cnn(C(C)C)c2C)cn1
InChIInChI=1S/C15H25N5/c1-5-6-19-11-14(8-17-19)7-16-9-15-10-18-20(12(2)3)13(15)4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyPRJYBKATXAZOTH-UHFFFAOYSA-N
XLogP2.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964190
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (CID 122167320) is N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(CNCc2cnn(C(C)C)c2C)cn1.
What is the InChIKey of N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is PRJYBKATXAZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-6-19-11-14(8-17-19)7-16-9-15-10-18-20(12(2)3)13(15)4/h8,10-12,16H,5-7,9H2,1-4H3.
What are the key properties of N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 122167320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).