N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C11H17N5 — CID 115653609

IUPACN-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCCCn1cc(CNCc2ccn[nH]2)cn1
InChIInChI=1S/C11H17N5/c1-2-5-16-9-10(7-14-16)6-12-8-11-3-4-13-15-11/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyUQRVQKGFVRFMHM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 115653609) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID115653609
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCCCn1cc(CNCc2ccn[nH]2)cn1
InChIInChI=1S/C11H17N5/c1-2-5-16-9-10(7-14-16)6-12-8-11-3-4-13-15-11/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyUQRVQKGFVRFMHM-UHFFFAOYSA-N
XLogP1.31
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 115653609) is N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is CCCn1cc(CNCc2ccn[nH]2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is UQRVQKGFVRFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-5-16-9-10(7-14-16)6-12-8-11-3-4-13-15-11/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,13,15).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 115653609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).