N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine

C13H23N3 — CID 106798044

IUPACN-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cnn(C)c2)CC1
InChIInChI=1S/C13H23N3/c1-4-7-14-11(2)13(5-6-13)8-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyBFLMUVBFBPKWIB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds6

About N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798044) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106798044
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cnn(C)c2)CC1
InChIInChI=1S/C13H23N3/c1-4-7-14-11(2)13(5-6-13)8-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyBFLMUVBFBPKWIB-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798051
N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 115716332
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106798044) is N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2cnn(C)c2)CC1.
What is the InChIKey of N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is BFLMUVBFBPKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-14-11(2)13(5-6-13)8-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).