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

C12H21N3 — CID 103131211

IUPACN-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-4-8-13-11(12(2)6-7-12)10-5-9-15(3)14-10/h5,9,11,13H,4,6-8H2,1-3H3
InChIKeyNXALSRGQCNXHGQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.26
Rot. Bonds5

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

N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 103131211) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID103131211
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3/c1-4-8-13-11(12(2)6-7-12)10-5-9-15(3)14-10/h5,9,11,13H,4,6-8H2,1-3H3
InChIKeyNXALSRGQCNXHGQ-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140915
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773
[(1-ethylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141044
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 103131211) is N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)C1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is NXALSRGQCNXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-8-13-11(12(2)6-7-12)10-5-9-15(3)14-10/h5,9,11,13H,4,6-8H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103131211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).