N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine

C16H20N4 — CID 103838560

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
SMILESc1cncc(-c2[nH]ncc2CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C16H20N4/c1-2-12(8-17-7-1)15-13(10-19-20-15)9-18-11-16(5-6-16)14-3-4-14/h1-2,7-8,10,14,18H,3-6,9,11H2,(H,19,20)
InChIKeyBZDVKSMRGCDHGP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 103838560) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
PubChem CID103838560
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
SMILESc1cncc(-c2[nH]ncc2CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C16H20N4/c1-2-12(8-17-7-1)15-13(10-19-20-15)9-18-11-16(5-6-16)14-3-4-14/h1-2,7-8,10,14,18H,3-6,9,11H2,(H,19,20)
InChIKeyBZDVKSMRGCDHGP-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
CID 126781528
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436650
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127229
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
CID 61221388
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine (CID 103838560) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine is c1cncc(-c2[nH]ncc2CNCC2(C3CC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is BZDVKSMRGCDHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-12(8-17-7-1)15-13(10-19-20-15)9-18-11-16(5-6-16)14-3-4-14/h1-2,7-8,10,14,18H,3-6,9,11H2,(H,19,20).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 103838560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).